ChemSpider 2D Image | (1S,8S,10S,12S)-14-Methyl-4',4',11,11-tetrakis[(~13~C)methyl](2',3',4,4',5,6,7,8,9,10,11,15-~13~C_12_)-4'H,15H-spiro[3,14-diazatetracyclo[6.5.2.0~1,10~.0~3,8~]pentadecane-12,8'-[1,4]dioxepino[2,3-g]in dole]-9',15(10'H)-dione | C1213C16H35N3O4

(1S,8S,10S,12S)-14-Methyl-4',4',11,11-tetrakis[(13C)methyl](2',3',4,4',5,6,7,8,9,10,11,15-13C12)-4'H,15H-spiro[3,14-diazatetracyclo[6.5.2.01,10.03,8]pentadecane-12,8'-[1,4]dioxepino[2,3-g]in dole]-9',15(10'H)-dione

  • Molecular FormulaC1213C16H35N3O4
  • Average mass493.478 Da
  • Monoisotopic mass493.316437 Da
  • ChemSpider ID8776592

  • defined stereocentres - 4 of 4 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

(1S,8S,10S,12S)-14-Methyl-4',4',11,11-tetrakis[(13C)methyl](2',3',4,4',5,6,7,8,9,10,11,15-13C12)-4'H,15H-spiro[3,14-diazatetracyclo[6.5.2.01,10.03,8]pentadecane-12,8'-[1,4]dioxepino[2,3-g]in dole]-9',15(10'H)-dione [ACD/IUPAC Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.659
Molar Refractivity: 131.4±0.4 cm3
#H bond acceptors:
#H bond donors:
#Freely Rotating Bonds:
#Rule of 5 Violations:
ACD/LogP:
ACD/LogD (pH 5.5):
ACD/BCF (pH 5.5):
ACD/KOC (pH 5.5):
ACD/LogD (pH 7.4):
ACD/BCF (pH 7.4):
ACD/KOC (pH 7.4):
Polar Surface Area:
Polarizability: 52.1±0.5 10-24cm3
Surface Tension: 62.4±5.0 dyne/cm
Molar Volume: 356.5±5.0 cm3

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